5-(3-bromophenyl)-N-propan-2-ylpyridazin-3-amine

C13H14BrN3 — CID 10424407

IUPAC5-(3-bromophenyl)-N-propan-2-ylpyridazin-3-amine
SMILESCC(C)Nc1cc(-c2cccc(Br)c2)cnn1
InChIInChI=1S/C13H14BrN3/c1-9(2)16-13-7-11(8-15-17-13)10-4-3-5-12(14)6-10/h3-9H,1-2H3,(H,16,17)
InChIKeyUMNMVUGGTKAKKC-UHFFFAOYSA-N
MW292.18 g/mol
LogP3.73
Rot. Bonds3

About 5-(3-bromophenyl)-N-propan-2-ylpyridazin-3-amine

5-(3-bromophenyl)-N-propan-2-ylpyridazin-3-amine (PubChem CID 10424407) has the molecular formula C13H14BrN3 and a molecular weight of 292.18 g/mol. Its IUPAC name is 5-(3-bromophenyl)-N-propan-2-ylpyridazin-3-amine.

Molecular Properties

Compound Name5-(3-bromophenyl)-N-propan-2-ylpyridazin-3-amine
PubChem CID10424407
Molecular FormulaC13H14BrN3
Molecular Weight292.18 g/mol
Exact Mass291.04
IUPAC Name5-(3-bromophenyl)-N-propan-2-ylpyridazin-3-amine
SMILESCC(C)Nc1cc(-c2cccc(Br)c2)cnn1
InChIInChI=1S/C13H14BrN3/c1-9(2)16-13-7-11(8-15-17-13)10-4-3-5-12(14)6-10/h3-9H,1-2H3,(H,16,17)
InChIKeyUMNMVUGGTKAKKC-UHFFFAOYSA-N
XLogP3.73
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.18
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-bromophenyl)-N-propan-2-ylpyridazin-3-amine?
The IUPAC name of 5-(3-bromophenyl)-N-propan-2-ylpyridazin-3-amine (CID 10424407) is 5-(3-bromophenyl)-N-propan-2-ylpyridazin-3-amine.
What is the SMILES notation for 5-(3-bromophenyl)-N-propan-2-ylpyridazin-3-amine?
The canonical SMILES for 5-(3-bromophenyl)-N-propan-2-ylpyridazin-3-amine is CC(C)Nc1cc(-c2cccc(Br)c2)cnn1.
What is the InChIKey of 5-(3-bromophenyl)-N-propan-2-ylpyridazin-3-amine?
The InChIKey is UMNMVUGGTKAKKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3/c1-9(2)16-13-7-11(8-15-17-13)10-4-3-5-12(14)6-10/h3-9H,1-2H3,(H,16,17).
What are the key properties of 5-(3-bromophenyl)-N-propan-2-ylpyridazin-3-amine?
5-(3-bromophenyl)-N-propan-2-ylpyridazin-3-amine has a molecular weight of 292.18 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromophenyl)-N-propan-2-ylpyridazin-3-amine is sourced from PubChem (CID 10424407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).